General Information of the Compound
| Compound ID |
CP0151326
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| Compound Name |
(S)-2-chloro-4-((1-propionylpyrrolidin-3-yl)(2-(trifluoromethyl)benzyl)amino)benzonitrile
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| Structure |
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| Formula |
C22H21ClF3N3O
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| Molecular Weight |
435.877
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| Canonical SMILES |
CCC(=O)N1CC[C@@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1
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| InChI |
InChI=1S/C22H21ClF3N3O/c1-2-21(30)28-10-9-18(14-28)29(17-8-7-15(12-27)20(23)11-17)13-16-5-3-4-6-19(16)22(24,25)26/h3-8,11,18H,2,9-10,13-14H2,1H3/t18-/m0/s1
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| InChIKey |
FRPRDXYTPMUZFL-SFHVURJKSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound